SCHEMBL906041

SCHEMBL906041

C[CH]C(N)n1ncc2ccc(Sc3ccccc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
KMO O15229 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
LRRK2 Q5S007 1/20 0.32
ABL1 P00519 1/20 0.32
KHK P50053 1/20 0.32
HTR2C P28335 5/20 0.32
HTR2A P28223 4/20 0.32
HTR2B P41595 3/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
HTR1D P28221 1/20 0.32
HTR7 P34969 1/20 0.32
HTR4 Q13639 1/20 0.32
MCL1 Q07820 2/20 0.31
BCL2 P10415 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8009913 0.76 HTR2A (0.35) KMOHDAC8HTR2CHTR2AHTR2B
SCHEMBL906040 0.75 HTR2A (0.60) SLC6A4KMOHTR2CHTR2AHTR2B
Ammonia Solution, Strong SCHEMBL906042 0.69 KMO (0.42) KMOHTR2CHTR2AHTR2BHTR1A
SCHEMBL8007092 0.68 HTR2C (0.48) KMOHTR2CHTR2AHTR2BHTR1A
SCHEMBL3257604 0.63 RECQL (0.38) KMOHDAC8ADRA2AADRA2BADRA2C
SCHEMBL3281214 0.62 LMNA (0.52) ABL1HTR2CMCL1BCL2MAOA
SCHEMBL20876151 0.61 RECQL (0.39) KMOADRA2AADRA2BADRA2CLMNA
SCHEMBL18805373 0.60 LMNA (0.40) HTR2CMCL1BCL2MAOAMAOB
SCHEMBL7708311 0.60 MAOA (0.48) SLC6A4ABL1HTR2CMCL1BCL2
SCHEMBL3904216 0.59 MAOA (0.56) SLC6A4HTR2CMCL1BCL2MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000017170-A2 N1-SUBSTITUTED BENZOPYRAZOLES AS INHIBITORS OF 5-HT2 RECEPTORS VERNALIS RESEARCH LIMITED (GB) 2000-03-30 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C SLC6A4 49/4885KMO 665/4885HDAC8 1772/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C SLC6A4 49/4885KMO 665/4885HDAC8 1772/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C SLC6A4 49/4885KMO 665/4885HDAC8 1772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.